3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene

C10H16O2 — CID 10535117

IUPAC3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
SMILESCC1=CC2(CC(C)CCO2)OC1
InChIInChI=1S/C10H16O2/c1-8-3-4-11-10(5-8)6-9(2)7-12-10/h6,8H,3-5,7H2,1-2H3
InChIKeyRJWXIIKENXFEDG-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds

About 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene

3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene (PubChem CID 10535117) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
PubChem CID10535117
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
SMILESCC1=CC2(CC(C)CCO2)OC1
InChIInChI=1S/C10H16O2/c1-8-3-4-11-10(5-8)6-9(2)7-12-10/h6,8H,3-5,7H2,1-2H3
InChIKeyRJWXIIKENXFEDG-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 23635075
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
4-Methylene-6-(2-methylprop-1-enyl)-2-ethoxy-tetrahydro-2h-pyran
CID 129745543
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235
5-(2,5-Dihydrofuran-3-ylmethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxane
CID 134854473
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
(4S,5R,6S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane
CID 135040153
(4R,5S)-2,2,4,5-tetramethyl-6-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-1,3-dioxane
CID 135040186
[(1R,4aS,6R)-1-but-3-enoxy-1,3,4,4a,5,6-hexahydrocyclopenta[c]pyran-6-yl] methyl carbonate
CID 11482559
2,2-Dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832116
7,9-Dioxadispiro[5.1.58.26]pentadec-14-ene
CID 14983154

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene?
The IUPAC name of 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene (CID 10535117) is 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene?
The canonical SMILES for 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene is CC1=CC2(CC(C)CCO2)OC1.
What is the InChIKey of 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene?
The InChIKey is RJWXIIKENXFEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8-3-4-11-10(5-8)6-9(2)7-12-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene?
3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene has a molecular weight of 168.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1,10-dioxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 10535117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).